[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone

C18H26N2O — CID 756196

IUPAC[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C18H26N2O/c21-18(20-12-5-2-6-13-20)17-10-7-11-19(15-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2/t17-/m1/s1
InChIKeyMLOHPDFHPUZMAS-QGZVFWFLSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds3

About [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 756196) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID756196
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C18H26N2O/c21-18(20-12-5-2-6-13-20)17-10-7-11-19(15-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2/t17-/m1/s1
InChIKeyMLOHPDFHPUZMAS-QGZVFWFLSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
azepan-1-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90484118
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone (CID 756196) is [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone is O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCC1.
What is the InChIKey of [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is MLOHPDFHPUZMAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(20-12-5-2-6-13-20)17-10-7-11-19(15-17)14-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2/t17-/m1/s1.
What are the key properties of [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone?
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 756196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).